Match Hartree energy
Commits >
Commit dfb998a08bfe04488932b5e2d20d2b9995cc9a79 >
Run spack_foss-2022a_serial_debug >
Input 10-fullerene.01-gs.inp
Value | Reference | Precision | Status |
3.954895211040000e+03 | 3.954895210660000e+03 | 4.180000000000000e-07 | PASS |
Command: GREPFIELD(static/info, 'Hartree =', 3)